N-methyl-N-(sulfanylmethyl)prop-2-enamide

C5H9NOS — CID 170148935

IUPACN-methyl-N-(sulfanylmethyl)prop-2-enamide
SMILESC=CC(=O)N(C)CS
InChIInChI=1S/C5H9NOS/c1-3-5(7)6(2)4-8/h3,8H,1,4H2,2H3
InChIKeyIWYZLVOXLSFCCR-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.52
Rot. Bonds2

About N-methyl-N-(sulfanylmethyl)prop-2-enamide

N-methyl-N-(sulfanylmethyl)prop-2-enamide (PubChem CID 170148935) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is N-methyl-N-(sulfanylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(sulfanylmethyl)prop-2-enamide
PubChem CID170148935
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC NameN-methyl-N-(sulfanylmethyl)prop-2-enamide
SMILESC=CC(=O)N(C)CS
InChIInChI=1S/C5H9NOS/c1-3-5(7)6(2)4-8/h3,8H,1,4H2,2H3
InChIKeyIWYZLVOXLSFCCR-UHFFFAOYSA-N
XLogP0.52
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-methyl-N-(3-sulfanylbutyl)prop-2-enamide
CID 141133278
N-(2-aminopropyl)-N-methylprop-2-enamide
CID 130563514
N,2-dimethyl-N-[2-[methyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 23525820
N-[3-(dimethylamino)propyl]-N-methylprop-2-enamide;hydrazine
CID 162091587
4-[methyl(prop-2-enoyl)amino]butanoic acid
CID 43151837
CID 58422062
CID 58422062
N-ethyl-N-sulfanylprop-2-enamide
CID 154365527
N,N-dimethylprop-2-enamide;isocyanic acid
CID 172679295
N-(3-formamidopropyl)-N-methylprop-2-enamide
CID 141060601
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]pentyl]prop-2-enamide
CID 158816365
azane;1-[methyl(prop-2-enoyl)amino]propane-2-sulfonic acid
CID 87438515

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(sulfanylmethyl)prop-2-enamide?
The IUPAC name of N-methyl-N-(sulfanylmethyl)prop-2-enamide (CID 170148935) is N-methyl-N-(sulfanylmethyl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(sulfanylmethyl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(sulfanylmethyl)prop-2-enamide is C=CC(=O)N(C)CS.
What is the InChIKey of N-methyl-N-(sulfanylmethyl)prop-2-enamide?
The InChIKey is IWYZLVOXLSFCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c1-3-5(7)6(2)4-8/h3,8H,1,4H2,2H3.
What are the key properties of N-methyl-N-(sulfanylmethyl)prop-2-enamide?
N-methyl-N-(sulfanylmethyl)prop-2-enamide has a molecular weight of 131.20 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(sulfanylmethyl)prop-2-enamide is sourced from PubChem (CID 170148935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).